Publications by authors named "Tim Pongratz"

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Origin of the pH Dependency of EPR Parameters: The Case of a Protonatable Nitroxide in Aqueous Solution.
Laura Galazzo, Stefan Maste, Bikramjit Sharma, Van Anh Tran, Tim Pongratz

J Phys Chem Lett· August 2025

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The accuracy limit of chemical shift predictions for species in aqueous solution.
Stefan Maste, Bikramjit Sharma, Tim Pongratz, Bastian Grabe, Wolf Hiller

Phys Chem Chem Phys· February 2024

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Dissecting the Molecular Origin of -Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory.
Van Anh Tran, Markus Teucher, Laura Galazzo, Bikramjit Sharma, Tim Pongratz

J Phys Chem A· August 2023

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A Joint Venture of Ab Initio Molecular Dynamics, Coupled Cluster Electronic Structure Methods, and Liquid-State Theory to Compute Accurate Isotropic Hyperfine Constants of Nitroxide Probes in Water.
Bikramjit Sharma, Van Anh Tran, Tim Pongratz, Laura Galazzo, Irina Zhurko

J Chem Theory Comput· October 2021

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Pressure-dependent electronic structure calculations using integral equation-based solvation models.
Tim Pongratz, Patrick Kibies, Lukas Eberlein, Nicolas Tielker, Christoph Hölzl

Biophys Chem· February 2020

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Corrigendum: The Chemical Shift Baseline for High-Pressure NMR Spectra of Proteins.
Roland Frach, Patrick Kibies, Saraphina Böttcher, Tim Pongratz, Steven Strohfeldt

Angew Chem Int Ed Engl· September 2016

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The Chemical Shift Baseline for High-Pressure NMR Spectra of Proteins.
Roland Frach, Patrick Kibies, Saraphina Böttcher, Tim Pongratz, Steven Strohfeldt

Angew Chem Int Ed Engl· July 2016

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11th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.
Uli Fechner, Chris de Graaf, Andrew E Torda, Stefan Güssregen, Andreas Evers, Tim Pongratz

J Cheminform· April 2016

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